SCHEMBL28649643

SCHEMBL28649643

CC(CC#N)C(C)(I)C#N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28101820 0.75 TSHR (0.33) TSHR
SCHEMBL17073925 0.74
SCHEMBL15247260 0.74
SCHEMBL19200939 0.74
SCHEMBL13058211 0.71
SCHEMBL7632575 0.70 TSHR (0.33) TSHR
SCHEMBL223764 0.68 TSHR (0.32) TSHR
SCHEMBL15334137 0.68 TSHR (0.32) TSHR
SCHEMBL24334937 0.67 TSHR (0.31) TSHR
SCHEMBL5484514 0.67 TSHR (0.31) TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112932781-A Lacrimal system drug delivery device 科罗拉多州立大学董事会, 公司实体 2021-06-11 CN disclosed